SCHEMBL16352129

SCHEMBL16352129

COc1cc(CON(CCCP(C)(C)=O)C(C)=O)cc(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.33
TACR1 P25103 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16364157 0.90 MTNR1B (0.34) MTNR1BL3MBTL1
SCHEMBL16363802 0.85 POLB (0.33) MTNR1BL3MBTL1GAAKMT2APOLB
SCHEMBL16352152 0.80 MTNR1B (0.34) MTNR1BL3MBTL1GAATACR1FFAR4
SCHEMBL16352121 0.79 SLC1A3 (0.40) TACR1
SCHEMBL16352132 0.79 RAB9A (0.38) L3MBTL1POLB
SCHEMBL16352131 0.78 MAOB (0.39) L3MBTL1KMT2APOLB
SCHEMBL16352133 0.78 MAOB (0.44) FFAR4
SCHEMBL16352101 0.78 ALOX5 (0.42) POLB
SCHEMBL16352126 0.78 ATM (0.43) KMT2A
SCHEMBL16352127 0.77 CETP (0.41) FFAR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593136-B2 Compounds for inhibiting 1-deoxy-D-xylulose-5-phosphate reductoisomerase THE GEORGE WASHINGTON UNIVERSITY (US) 2017-03-14 US disclosed
US-20140378418-A1 COMPOUNDS FOR INHIBITING 1-DEOXY-D-XYLULOSE-5-PHOSPHATE REDUCTOISOMERASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2014-12-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140378418-A1 COMPOUNDS FOR INHIBITING 1-DEOXY-D-XYLULOSE-5-PHOSPHATE REDUCTOISOMERASE DCXR, G6PD, GRHPR MTNR1B 2330/4885L3MBTL1 3192/4885GAA 659/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.